Formula |
C10H11NS |
IUPAC Name |
3-isothiocyanatopropylbenzene |
Molecular Mass |
177.266 g·mol−1 |
Heat of Formation |
190.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.71 ± 1.08 D |
Volume |
228.91 Å 3 |
Surface Area |
225.64 Å 2 |
HOMO Energy |
-8.84 ± 0.55 eV |
LUMO Energy |
-0.42 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 3-phenylpropyl isothiocyanate
- 3-phenylpropyl isothiocynate
- benzene, (3-isothiocyanatopropyl)-
- phenylpropyl isothiocyanate
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CAS Number(s) |
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InChIKey |
GRUOGLPIAPZLHJ-UHFFFAOYSA-N |
QR Code |
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Links |
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Elements |
H
S
C
N
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